| SpectraBase Compound ID | 9D8NlPjyZqr |
|---|---|
| InChI | InChI=1S/C59H61N7O23P2/c1-34-28-63(56(72)60-53(34)69)50-25-44(82-37(4)67)48(85-50)32-80-90(77,87-43-23-21-42(22-24-43)66(75)76)89-91(78,81-33-49-45(83-38(5)68)26-51(86-49)64-29-35(2)54(70)61-57(64)73)88-46-27-52(65-30-36(3)55(71)62-58(65)74)84-47(46)31-79-59(39-15-9-6-10-16-39,40-17-11-7-12-18-40)41-19-13-8-14-20-41/h6-24,28-30,44-52H,25-27,31-33H2,1-5H3,(H,60,69,72)(H,61,70,73)(H,62,71,74)/t44-,45-,46-,47+,48+,49+,50+,51+,52+,90?,91?/m0/s1 |
| InChIKey | ORUOGYFNGJPFKX-LACGPNJNSA-N |
| Mol Weight | 1298.1 g/mol |
| Molecular Formula | C59H61N7O23P2 |
| Exact Mass | 1297.329405 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3v2mpn05cF0 |
|---|---|
| Name | P-(5'-O-TRITYLDEOXYTHYMIDIN-3'-YL)-P'-(4-NITROPHENYL)-P,P'-BIS(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)PYROPHOSPHATE (DIASTEREOMER 1) |
| Comments | , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C59H61N7O23P2 |
| InChI | InChI=1S/C59H61N7O23P2/c1-34-28-63(56(72)60-53(34)69)50-25-44(82-37(4)67)48(85-50)32-80-90(77,87-43-23-21-42(22-24-43)66(75)76)89-91(78,81-33-49-45(83-38(5)68)26-51(86-49)64-29-35(2)54(70)61-57(64)73)88-46-27-52(65-30-36(3)55(71)62-58(65)74)84-47(46)31-79-59(39-15-9-6-10-16-39,40-17-11-7-12-18-40)41-19-13-8-14-20-41/h6-24,28-30,44-52H,25-27,31-33H2,1-5H3,(H,60,69,72)(H,61,70,73)(H,62,71,74)/t44-,45-,46-,47+,48+,49+,50+,51+,52+,90?,91?/m0/s1 |
| InChIKey | ORUOGYFNGJPFKX-LACGPNJNSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | A.V.LEBEDEV, A.I.REZVUKHIN (1983) Bioorganich.Khim.(Russ. Lang.): v.9, N2, 149-185. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C5H5N pyridine |